(O,1,1,1,2,3,3,3-2H8)propan-2-ol
Basic information
- CAS
22739-76-0- Standard SMILES
[2H]OC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]- InChIKey
KFZMGEQAYNKOFK-PIODKIDGSA-N- Molecular formula
- C3H8O
- Average molar mass
- 68.14 g/mol
- Monoisotopic mass
- 68.10772884
Names & identifiers
- Preferred name
- (O,1,1,1,2,3,3,3-2H8)propan-2-ol
- IUPAC
- 1,1,1,2,3,3,3-heptadeuterio-2-deuteriooxypropane
- English name
- 2-Propanol-d8
- Molecular formula
- C3D8O
- Molecular weight
- 68.14
Names & synonyms
(O,1,1,1,2,3,3,3-2H8)Propan-2-olEINECS 245-189-22-Propan-1,1,1,2,3,3,3-d7-ol-dDTXSID30177279RefChem:70186DTXCID6099770245-189-22-Propanol-d822739-76-0Isopropanol-d8MFCD000443411,1,1,2,3,3,3-heptadeuterio-2-deuteriooxypropane
Show more names
IPA-D82-PROPANOLE-D8(2H8)-2-Propanol2-PROPYL ALCOHOL D82-(2H7)Propan(2H)olISOPROPYL ALCOHOL-D82-Propanol-ds NO.D8-iso-Propyl Alcohol
iso-Propyl Alcohol-d8iso-Propyl Alcohol-d8 (Reagent grade)C3D8OIsopropanol D8Isopropanol D8 >99.00%orb3027402SCHEMBL1686135KFZMGEQAYNKOFK-PIODKIDGSA-N
Database identifiers
- CAS
22739-76-0- PubChem CID
- 2723972
- DTXSID
DTXSID30177279- EC Number
- 245-189-2
- Nikkaji
- J286.290E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 10.8
Physicochemical properties
- Melting point
- -89.5 °C · -89.5°C
- Boiling point
- 83 °C · 83°C
- Density
- 0.89 g/mL · 0.890 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.3728(lit.)
- Flash point
- 75 °F · 75 °F
- storage temp.
- Flammables area
- form
- Liquid
- color
- Clear colorless
- explosive limit
- 2 · 2-12.7%(V)
- Water Solubility
- Completely soluble in water.
- BRN
- 1816231 · 1816231
- Stability
- Stable. Highly flammable. Incompatible with acids, strong oxidizing agents, acid anhydrides, halogens, aluminium.
- InChI
- InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3,2D3,3D,4D
- InChIKey
- KFZMGEQAYNKOFK-PIODKIDGSA-N
- SMILES
- C([2H])(O[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information2-Propan-1,1,1,2,3,3,3-d7-ol-d: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- F
- 3-10
- wgk
- 3
- ridadr
- UN 1219 3/PG 2
- hs_code
- 28459000
- risk_code
- 11-67-36
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi
- safety_code
- 7-16-26-24/25-2017/7/16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Central nervous system
Chemistry & industry
Applications
Uses2-Propanol-d{8} is used as an intermediate in chemical research and in pharmaceutics.
General Description2-Propanol-d8 (Isopropanol-d8) is a deuterated derivative of isopropanol. Generation and decay of correlated radical pairs (SCRP) during the reduction of acetone(D6) in 2-propanol(D8) have been studied by Fourier transform-electron paramagnetic resonance (FT-EPR) spectroscopy. It participates as solvent during the evaluation of triplet decay constants, triplet lifetime and photoreduction rate constants of benzophenone.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
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Compound notes
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